Information card for entry 4506005

Structure parameters

• Formula: C21 H15 N6 Pt S4
• Calculated formula: C21 H15 N6 Pt S4
• SMILES: [Pt]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.c1cc(cc[n+]1Cc1ccc(cc1)C)N
• Title of publication: Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents
• Authors of publication: Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2419
• a: 7.3513 ± 0.0015 Å
• b: 26.591 ± 0.005 Å
• c: 12.663 ± 0.003 Å
• α: 90°
• β: 105.04 ± 0.002°
• γ: 90°
• Cell volume: 2390.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No